TL;DR: Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride (CAS 118116-19-1) is a chemical compound with molecular formula C20H33ClN2O3 and molecular weight 384.21796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-tert-butyl-5-(2-piperidin-1-ylethoxy)phenyl] N,N-dimethylcarbamate;hydrochloride
Also Known As: Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride, Dimethylcarbamic acid 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester HCl, [3-tert-butyl-5-(2-piperidin-1-ylethoxy)phenyl] N,N-dimethylcarbamate hydrochloride, 3-tert-Butyl-5-[2-(piperidin-1-yl)ethoxy]phenyl dimethylcarbamate--hydrogen chloride (1/1)
| Molecular Formula | C20H33ClN2O3 |
| Molecular Weight | 384.21796 g/mol |
| XLogP | 4.331 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.21796 Da |
| Heavy Atoms | 26 |
| Complexity | 414.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)OC(=O)N(C)C)OCCN2CCCCC2.Cl |
| InChIKey | NNGYJUSWBNFCTN-UHFFFAOYSA-N |
The XLogP value of 4.331 indicates that Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride is 118116-19-1.
The molecular formula of Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride is C20H33ClN2O3.
The molecular weight of Carbamic acid, dimethyl-, 5-(1,1-dimethylethyl)-3-(2-(1-piperidinyl)ethoxy)phenyl ester, monohydrochloride is 384.21796 g/mol.
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